2-cyclohexylethyl carbonochloridate

C9H15ClO2 — CID 19994353

IUPAC2-cyclohexylethyl carbonochloridate
SMILESO=C(Cl)OCCC1CCCCC1
InChIInChI=1S/C9H15ClO2/c10-9(11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyJBGPWKBSMZRCPE-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.33
Rot. Bonds3

About 2-cyclohexylethyl carbonochloridate

2-cyclohexylethyl carbonochloridate (PubChem CID 19994353) has the molecular formula C9H15ClO2 and a molecular weight of 190.67 g/mol. Its IUPAC name is 2-cyclohexylethyl carbonochloridate.

Molecular Properties

Compound Name2-cyclohexylethyl carbonochloridate
PubChem CID19994353
Molecular FormulaC9H15ClO2
Molecular Weight190.67 g/mol
Exact Mass190.08
IUPAC Name2-cyclohexylethyl carbonochloridate
SMILESO=C(Cl)OCCC1CCCCC1
InChIInChI=1S/C9H15ClO2/c10-9(11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2
InChIKeyJBGPWKBSMZRCPE-UHFFFAOYSA-N
XLogP3.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

2-cyclohexylethyl 2-aminoacetate
CID 54016535
2-cyclohexylethyl 2-hydroxyacetate
CID 67340221
bis(2-cyclopentylethyl) propanedioate
CID 67140627
2-cyclopentylethyl methyl carbonate
CID 66771150
carbonochloridoyl 2-cyclopropylethyl carbonate
CID 175539092
2-cyclohexylethyl 2-iodopropanoate
CID 155660085
2-cyclopentylethyl prop-2-ynoate
CID 154203049
O-(2-cyclohexylethyl) ethanethioate
CID 101381755
2-cyclopentylethyl butanoate
CID 142409115
4-(2-cyclohexylethoxy)-2,2,3,3-tetrafluoro-4-oxobutanoate
CID 164747567
2-cyclohexylethyl N-(2,2,2-trifluoroethyl)carbamate
CID 70951802
6-O-(2-cyclohexylethyl) 1-O-propyl hexanedioate
CID 91725827

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl carbonochloridate?
The IUPAC name of 2-cyclohexylethyl carbonochloridate (CID 19994353) is 2-cyclohexylethyl carbonochloridate.
What is the SMILES notation for 2-cyclohexylethyl carbonochloridate?
The canonical SMILES for 2-cyclohexylethyl carbonochloridate is O=C(Cl)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl carbonochloridate?
The InChIKey is JBGPWKBSMZRCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClO2/c10-9(11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2.
What are the key properties of 2-cyclohexylethyl carbonochloridate?
2-cyclohexylethyl carbonochloridate has a molecular weight of 190.67 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl carbonochloridate is sourced from PubChem (CID 19994353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).